CID 9859386

120868-73-7

Structural Information

Molecular Formula

C₉H₁₀ClN₃S

SMILES

C1CSC(=N)N1CC2=CN=C(C=C2)Cl

InChI

InChI=1S/C9H10ClN3S/c10-8-2-1-7(5-12-8)6-13-3-4-14-9(13)11/h1-2,5,11H,3-4,6H2

InChIKey

WJLMZDWUGGHQEH-UHFFFAOYSA-N

Compound name

3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 58
Patents: 227.0284 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	228.035676	147.3
[M+Na]+	250.017618	156.5
[M-H]-	226.021124	151.6
[M+NH4]+	245.062223	165.8
[M+K]+	265.991558	151.1
[M+H-H2O]+	210.025660	140.3
[M+HCOO]-	272.026601	160.1
[M+CH3COO]-	286.042251	159.6
[M+Na-2H]-	248.003066	148.5
[M]+	227.02785142	147.1
[M]-	227.02894858	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe